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67886-69-5 | 2-Iodo-6-methoxynaphthalene
CAS No: 67886-69-5 Catalog No: AG006I85 MDL No:MFCD00460747
Product Description
Catalog Number:
AG006I85
Chemical Name:
2-Iodo-6-methoxynaphthalene
CAS Number:
67886-69-5
Molecular Formula:
C11H9IO
Molecular Weight:
284.0930
MDL Number:
MFCD00460747
IUPAC Name:
2-iodo-6-methoxynaphthalene
InChI:
InChI=1S/C11H9IO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3
InChI Key:
RATKEICSZQPVCV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)I
NSC Number:
408622
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.97g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.096g/mol
Monoisotopic Mass:
283.97g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Orientational isomerism controlled by the difference in electronic environments of a self-assembling heterodimeric capsule. | The Journal of organic chemistry 20070427 |
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